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ScientificNameLabel
Galloyl ellagic acid
PHCD compound ID : 5583
Chemical Names :
Galloyl ellagic acid
Molecular Formula : C21H10O12
Molecular Weight : 454.017226
More Details :
Names & Synonyms:
Smiles: O=C(c1cc(O)c(c(c1)O)O)Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O
InChi : InChI=1S/C21H10O12/c22-8-1-5(2-9(23)14(8)25)19(28)31-11-4-7-13-12-6(20(29)33-18(13)16(11)27)3-10(24)15(26)17(12)32-21(7)30/h1-4,22-27H
InChi Key : InChIKey=XRWBAPLAQNNNEA-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 9 Ionization potential : 9.270561
Hydrogen bond donor count : 6 Electric dipole moment : 6.141
XLogP : 1.21 VDW volume : 351.135058
Molecular weight : 454.017226 HOMO-LUMO gap : 7.529000
Herb list :
Refrences & Litretures:
  
943.      Journal:'BMC Complementary and Alternative Medicine'      Year:'2017'      Volume:'17'      Page:'52'      DOI:'10.1186/s12906-017-1561-2'      Title:'Profile of bioactive compounds in Nymphaea alba L. leaves growing in Egypt: hepatoprotective, antioxidant and anti-inflammatory activity'
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